CONFLIST MYG        MYGBK MYG01 

NATOM    MYGBK      0
NATOM    MYG01      46

IATOM    MYG01  C1  0
IATOM    MYG01  C2  1
IATOM    MYG01  C3  2
IATOM    MYG01  C4  3
IATOM    MYG01  C5  4
IATOM    MYG01  C6  5
IATOM    MYG01  C7  6
IATOM    MYG01  C8  7
IATOM    MYG01  C9  8
IATOM    MYG01  C10 9
IATOM    MYG01  C11 10
IATOM    MYG01  C12 11
IATOM    MYG01  N8  12
IATOM    MYG01  O1  13
IATOM    MYG01  O2  14
IATOM    MYG01  O3  15
IATOM    MYG01  O4  16
IATOM    MYG01  O5  17
IATOM    MYG01  O6  18
IATOM    MYG01  O9  19
IATOM    MYG01  O10 20
IATOM    MYG01  O11 21
IATOM    MYG01  O12 22
IATOM    MYG01  H1  23
IATOM    MYG01  H2  24
IATOM    MYG01  H3  25
IATOM    MYG01  H4  26
IATOM    MYG01  H5  27
IATOM    MYG01  H6  28
IATOM    MYG01  H7  29
IATOM    MYG01  H8  30
IATOM    MYG01  H9  31
IATOM    MYG01  H10 32
IATOM    MYG01  H11 33
IATOM    MYG01 1H12 34
IATOM    MYG01 2H12 35
IATOM    MYG01 1HN8 36
IATOM    MYG01 2HN8 37
IATOM    MYG01  HO1 38
IATOM    MYG01  HO2 39
IATOM    MYG01  HO3 40
IATOM    MYG01  HO4 41
IATOM    MYG01  HO5 42
IATOM    MYG01  HO9 43
IATOM    MYG01 0HO1 44
IATOM    MYG01 2HO1 45

ATOMNAME MYG01   0   C1
ATOMNAME MYG01   1   C2
ATOMNAME MYG01   2   C3
ATOMNAME MYG01   3   C4
ATOMNAME MYG01   4   C5
ATOMNAME MYG01   5   C6
ATOMNAME MYG01   6   C7
ATOMNAME MYG01   7   C8
ATOMNAME MYG01   8   C9
ATOMNAME MYG01   9   C10
ATOMNAME MYG01   10  C11
ATOMNAME MYG01   11  C12
ATOMNAME MYG01   12  N8 
ATOMNAME MYG01   13  O1 
ATOMNAME MYG01   14  O2 
ATOMNAME MYG01   15  O3 
ATOMNAME MYG01   16  O4 
ATOMNAME MYG01   17  O5 
ATOMNAME MYG01   18  O6 
ATOMNAME MYG01   19  O9 
ATOMNAME MYG01   20  O10
ATOMNAME MYG01   21  O11
ATOMNAME MYG01   22  O12
ATOMNAME MYG01   23  H1 
ATOMNAME MYG01   24  H2 
ATOMNAME MYG01   25  H3 
ATOMNAME MYG01   26  H4 
ATOMNAME MYG01   27  H5 
ATOMNAME MYG01   28  H6 
ATOMNAME MYG01   29  H7 
ATOMNAME MYG01   30  H8 
ATOMNAME MYG01   31  H9 
ATOMNAME MYG01   32  H10
ATOMNAME MYG01   33  H11
ATOMNAME MYG01   34 1H12
ATOMNAME MYG01   35 2H12
ATOMNAME MYG01   36 1HN8
ATOMNAME MYG01   37 2HN8
ATOMNAME MYG01   38  HO1
ATOMNAME MYG01   39  HO2
ATOMNAME MYG01   40  HO3
ATOMNAME MYG01   41  HO4
ATOMNAME MYG01   42  HO5
ATOMNAME MYG01   43  HO9
ATOMNAME MYG01   44 0HO1
ATOMNAME MYG01   45 2HO1

# Made by Jinrang Kim 9/15/04
#1.Basic Conformer Information: name, pka, em, rxn.
#23456789A123456789B123456789C
PROTON   MYG01      0
PKA      MYG01      0.0
ELECTRON MYG01      0
EM       MYG01      0.0
RXN      MYG01      -0.5

#2.Structure Connectivity
#23456789A123456789B123456789C123456789D123456789E123456789F123456789G123456789H123456789I
CONNECT  MYG01  C1  sp3       0     C2  0     C6  0     O1  0     H1  
CONNECT  MYG01  C2  sp3       0     C1  0     C3  0     O2  0     H2  
CONNECT  MYG01  C3  sp3       0     C2  0     C4  0     O3  0     H3  
CONNECT  MYG01  C4  sp3       0     C3  0     C5  0     O4  0     H4  
CONNECT  MYG01  C5  sp3       0     C4  0     C6  0     O5  0     H5  
CONNECT  MYG01  C6  sp3       0     C1  0     C5  0     O6  0     H6  
CONNECT  MYG01  C7  sp3       0     C8  0     O6  0     O11 0     H7  
CONNECT  MYG01  C8  sp3       0     C7  0     C9  0     N8  0     H8  
CONNECT  MYG01  C9  sp3       0     C8  0     C10 0     O9  0     H9  
CONNECT  MYG01  C10 sp3       0     C9  0     C11 0     O10 0     H10 
CONNECT  MYG01  C11 sp3       0     C10 0     C12 0     O11 0     H11 
CONNECT  MYG01  C12 sp3       0     C11 0     O12 0    1H12 0    2H12 
CONNECT  MYG01  N8  sp3       0     C8  0    1HN8 0    2HN8 
CONNECT  MYG01  O1  sp3       0     C1  0     HO1 
CONNECT  MYG01  O2  sp3       0     C2  0     HO2 
CONNECT  MYG01  O3  sp3       0     C3  0     HO3 
CONNECT  MYG01  O4  sp3       0     C4  0     HO4 
CONNECT  MYG01  O5  sp3       0     C5  0     HO5 
CONNECT  MYG01  O6  sp3       0     C6  0     C7  
CONNECT  MYG01  O9  sp3       0     C9  0     HO9 
CONNECT  MYG01  O10 sp3       0     C10 0    0HO1 
CONNECT  MYG01  O11 sp3       0     C7  0     C11 
CONNECT  MYG01  O12 sp3       0     C12 0    2HO1 
CONNECT  MYG01  H1  s         0     C1  
CONNECT  MYG01  H2  s         0     C2  
CONNECT  MYG01  H3  s         0     C3  
CONNECT  MYG01  H4  s         0     C4  
CONNECT  MYG01  H5  s         0     C5  
CONNECT  MYG01  H6  s         0     C6  
CONNECT  MYG01  H7  s         0     C7  
CONNECT  MYG01  H8  s         0     C8  
CONNECT  MYG01  H9  s         0     C9  
CONNECT  MYG01  H10 s         0     C10 
CONNECT  MYG01  H11 s         0     C11 
CONNECT  MYG01 1H12 s         0     C12 
CONNECT  MYG01 2H12 s         0     C12 
CONNECT  MYG01 1HN8 s         0     N8  
CONNECT  MYG01 2HN8 s         0     N8  
CONNECT  MYG01  HO1 s         0     O1  
CONNECT  MYG01  HO2 s         0     O2  
CONNECT  MYG01  HO3 s         0     O3  
CONNECT  MYG01  HO4 s         0     O4  
CONNECT  MYG01  HO5 s         0     O5  
CONNECT  MYG01  HO9 s         0     O9  
CONNECT  MYG01 0HO1 s         0     O10 
CONNECT  MYG01 2HO1 s         0     O12 

#23456789A123456789B123456789C123456789D123456789E123456789F123456789G123456789H123456789I
LIG_CONN MYG01 1    FE   HISLG  ND

#3.Atom Parameters: Partial Charges and Radii
# Radii from "http://www.webelements.com/"
RADIUS   MYG    C1  1.70
RADIUS   MYG    C2  1.70
RADIUS   MYG    C3  1.70
RADIUS   MYG    C4  1.70
RADIUS   MYG    C5  1.70
RADIUS   MYG    C6  1.70
RADIUS   MYG    C7  1.70
RADIUS   MYG    C8  1.70
RADIUS   MYG    C9  1.70
RADIUS   MYG    C10 1.70
RADIUS   MYG    C11 1.70
RADIUS   MYG    C12 1.70   
RADIUS   MYG    N8  1.55  
RADIUS   MYG    O1  1.52
RADIUS   MYG    O2  1.52
RADIUS   MYG    O3  1.52
RADIUS   MYG    O4  1.52
RADIUS   MYG    O5  1.52
RADIUS   MYG    O6  1.52
RADIUS   MYG    O9  1.52
RADIUS   MYG    O10 1.52
RADIUS   MYG    O11 1.52
RADIUS   MYG    O12 1.52
RADIUS   MYG    H1  1.20
RADIUS   MYG    H2  1.20
RADIUS   MYG    H3  1.20
RADIUS   MYG    H4  1.20
RADIUS   MYG    H5  1.20
RADIUS   MYG    H6  1.20
RADIUS   MYG    H7  1.20
RADIUS   MYG    H8  1.20
RADIUS   MYG    H9  1.20
RADIUS   MYG    H10 1.20
RADIUS   MYG    H11 1.20
RADIUS   MYG   1H12 1.20 
RADIUS   MYG   2H12 1.20
RADIUS   MYG   1HN8 1.20
RADIUS   MYG   2HN8 1.20
RADIUS   MYG    HO1 1.20
RADIUS   MYG    HO2 1.20
RADIUS   MYG    HO3 1.20
RADIUS   MYG    HO4 1.20
RADIUS   MYG    HO5 1.20
RADIUS   MYG    HO9 1.20
RADIUS   MYG   0HO1 1.20
RADIUS   MYG   2HO1 1.20

CHARGE   MYG01  C1    0.112174787
CHARGE   MYG01  C2    0.111820884
CHARGE   MYG01  C3    0.111811221
CHARGE   MYG01  C4    0.111820884
CHARGE   MYG01  C5    0.112174779
CHARGE   MYG01  C6    0.118284397
CHARGE   MYG01  C7    0.177669644
CHARGE   MYG01  C8    0.085311301
CHARGE   MYG01  C9    0.103311799
CHARGE   MYG01  C10   0.110921778
CHARGE   MYG01  C11   0.112928867
CHARGE   MYG01  C12   0.073014103
CHARGE   MYG01  N8   -0.32111752
CHARGE   MYG01  O1   -0.386477739 
CHARGE   MYG01  O2   -0.386487752
CHARGE   MYG01  O3   -0.386487842
CHARGE   MYG01  O4   -0.386487752
CHARGE   MYG01  O5   -0.386477739
CHARGE   MYG01  O6   -0.341123611
CHARGE   MYG01  O9   -0.387428999
CHARGE   MYG01  O10  -0.386524349
CHARGE   MYG01  O11  -0.341505408
CHARGE   MYG01  O12  -0.392366201
CHARGE   MYG01  H1    0.0646830872
CHARGE   MYG01  H2    0.0646734089
CHARGE   MYG01  H3    0.0646732971
CHARGE   MYG01  H4    0.0646734089
CHARGE   MYG01  H5    0.0646830872
CHARGE   MYG01  H6    0.0650516897
CHARGE   MYG01  H7    0.0926704109
CHARGE   MYG01  H8    0.0534932427
CHARGE   MYG01  H9    0.0637161806
CHARGE   MYG01  H10   0.064637661
CHARGE   MYG01  H11   0.0646666437
CHARGE   MYG01 1H12   0.0583701506 
CHARGE   MYG01 2H12   0.0583701506
CHARGE   MYG01 1HN8   0.118694119
CHARGE   MYG01 2HN8   0.118694119
CHARGE   MYG01  HO1   0.210003749
CHARGE   MYG01  HO2   0.2100036
CHARGE   MYG01  HO3   0.2100036
CHARGE   MYG01  HO4   0.2100036
CHARGE   MYG01  HO5   0.210003749
CHARGE   MYG01  HO9   0.209960744
CHARGE   MYG01 0HO1   0.210002974
CHARGE   MYG01 2HO1   0.209508061

TORSION  MYG01 1HN8  N8   C8   C7   f        0.0         1      0.00
TORSION  MYG01  HO1  O1   C1   C2   t        0.0         1      0.00
TORSION  MYG01  HO2  O2   C2   C1   t        0.0         1      0.00
TORSION  MYG01  HO3  O3   C3   C2   t        0.0         1      0.00
TORSION  MYG01  HO4  O4   C4   C3   t        0.0         1      0.00
TORSION  MYG01  HO5  O5   C5   C4   t        0.0         1      0.00
TORSION  MYG01  HO9  O9   C9   C8   t        0.0         1      0.00
TORSION  MYG01 0HO1  O10  C10  C9   f        0.0         1      0.00
TORSION  MYG01 2HO1  O12  C12  C11  f        0.0         1      0.00
